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BDBM98461 US8481733, 273

SMILES: CN(C)CCNC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12

InChI Key: InChIKey=BHZUXJZLXBCDTG-AQYVVDRMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 98461   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))		BDBM98461
PNG
(US8481733, 273)
Show SMILES CN(C)CCNC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12 |r,wU:10.13,wD:7.6,(-5.35,-9.57,;-4.26,-8.48,;-4.66,-7,;-2.78,-8.88,;-1.69,-7.79,;-.2,-8.19,;.89,-7.1,;.49,-5.62,;1.58,-4.53,;1.18,-3.04,;-.31,-2.64,;-1.39,-3.73,;-1,-5.22,;-.7,-1.15,;.2,.09,;-.7,1.34,;-.31,2.83,;1.18,3.22,;1.58,4.71,;.49,5.8,;.89,7.29,;2.38,7.69,;3.47,6.6,;4.95,7,;5.35,8.48,;4.26,9.57,;2.78,9.17,;-1,5.4,;-1.39,3.91,;-2.17,.86,;-3.5,1.63,;-3.5,3.17,;-4.84,.86,;-4.84,-.68,;-3.5,-1.45,;-2.17,-.68,)|
Show InChI InChI=1S/C28H35N7O/c1-34(2)17-16-30-18-20-8-10-22(11-9-20)28-33-25(26-27(29)31-19-32-35(26)28)21-12-14-24(15-13-21)36-23-6-4-3-5-7-23/h3-7,12-15,19-20,22,30H,8-11,16-18H2,1-2H3,(H2,29,31,32)/t20-,22-
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Similars
US Patent
n/an/a 216n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair